Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 21:00:06 UTC
Update Date2022-08-31 06:19:44 UTC
Metabolite IDMMDBc0002725
Metabolite Identification
Common NameTryptoquialanine B
DescriptionTryptoquialanine B belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. Based on a literature review very few articles have been published on Tryptoquialanine B.
Structure
SynonymsNot Available
Molecular FormulaC26H24N4O7
Average Mass504.499
Monoisotopic Mass504.164499129
IUPAC Name(1S)-1-{3-[(2S,4'R,9S,9aS)-1-hydroxy-2-methyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-4'-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl acetate
Traditional Name(1S)-1-{3-[(2S,4'R,9S,9aS)-1-hydroxy-2-methyl-3,5'-dioxo-2,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-4'-yl]-4-oxoquinazolin-2-yl}ethyl acetate
CAS Registry NumberNot Available
SMILES
[H][C@@](C)(OC(C)=O)C1=NC2=CC=CC=C2C(=O)N1[C@]1([H])C[C@]2(OC1=O)C1=CC=CC=C1N1C(=O)[C@]([H])(C)N(O)[C@@]21[H]
InChI Identifier
InChI=1S/C26H24N4O7/c1-13-22(32)29-19-11-7-5-9-17(19)26(25(29)30(13)35)12-20(24(34)37-26)28-21(14(2)36-15(3)31)27-18-10-6-4-8-16(18)23(28)33/h4-11,13-14,20,25,35H,12H2,1-3H3/t13-,14-,20+,25-,26-/m0/s1
InChI KeyUNRJSEBGHKFHQK-NHYRABQJSA-N